Molecule

ID:112111

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₁BrNO₃
Molecular Mass
449.40114
Exact Mass
448.14873086
Charge
0
InChI
InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H
InChIKey
PZGZROJMWFCVPR-UHFFFAOYSA-N
Canonic Smiles
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N](C(C)C)(C(C)C)C.Br
Isomeric Smiles
Br.CC(C)[N](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
119.2545
Polar Surface Area
35.53
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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